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(3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

(3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name:(3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
Openeye Name:(3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
CAS Name:(3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide
IUPAC Name:(3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
Traditional Name:(3S)-N-cyclopropyl-1-[1-(4-ethylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
Formula: C23H37N3O+2
MolecularWeight: 371.55938
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4


Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4


InChI

InChI=1S/C23H35N3O/c1-2-18-5-7-19(8-6-18)16-25-14-11-22(12-15-25)26-13-3-4-20(17-26)23(27)24-21-9-10-21/h5-8,20-22H,2-4,9-17H2,1H3,(H,24,27)/p+2/t20-/m0/s1


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