(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C27H39N3O2+2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H37N3O2/c1-3-15-29-17-13-25(14-18-29)30-16-5-7-23(20-30)27(31)28-24-11-9-21(10-12-24)22-6-4-8-26(19-22)32-2/h4,6,8-12,19,23,25H,3,5,7,13-18,20H2,1-2H3,(H,28,31)/p+2/t23-/m0/s1