(3S)-N-(cyclopropylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(cyclopropylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(cyclopropylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(cyclopropylmethyl)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(cyclopropylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(cyclopropylmethyl)-1-(1-phenethylpiperidin-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:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)NCC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)NCC4CC4

InChI

InChI=1S/C23H35N3O/c27-23(24-17-20-8-9-20)21-7-4-13-26(18-21)22-11-15-25(16-12-22)14-10-19-5-2-1-3-6-19/h1-3,5-6,20-22H,4,7-18H2,(H,24,27)/p+2/t21-/m0/s1