(3S)-1-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(cyclopentylmethyl)-4-piperidin-1-iumyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(cyclopentylmethyl)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:

C1CCC(C1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H37N3O/c28-24(25-17-20-7-2-1-3-8-20)22-11-6-14-27(19-22)23-12-15-26(16-13-23)18-21-9-4-5-10-21/h1-3,7-8,21-23H,4-6,9-19H2,(H,25,28)/p+2/t22-/m0/s1