1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-1-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-1-methyl-piperidin-1-ium-4-carboxamide Formula: C23H39N3O+2 MolecularWeight: 373.57526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C3CC[NH+](CC3)C

InChI

InChI=1S/C23H37N3O/c1-18(2)15-19-6-8-20(9-7-19)16-26-12-4-5-22(17-26)24-23(27)21-10-13-25(3)14-11-21/h6-9,18,21-22H,4-5,10-17H2,1-3H3,(H,24,27)/p+2/t22-/m0/s1