(3S)-N-cyclopropyl-1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C24H39N3O+2 MolecularWeight: 385.58596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O/c1-18(2)20-7-5-19(6-8-20)16-26-14-11-23(12-15-26)27-13-3-4-21(17-27)24(28)25-22-9-10-22/h5-8,18,21-23H,3-4,9-17H2,1-2H3,(H,25,28)/p+2/t21-/m0/s1