(2S,4R)-N-methyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-methyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-methyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-methyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propyl-4-piperidinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-methyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-methyl-4-[(3-phenoxybenzyl)amino]-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide Formula: C27H39N4O2+ MolecularWeight: 451.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CC(CC2C(=O)NC)NCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2C[C@@H](C[C@H]2C(=O)NC)NCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O2/c1-3-14-30-15-12-23(13-16-30)31-20-22(18-26(31)27(32)28-2)29-19-21-8-7-11-25(17-21)33-24-9-5-4-6-10-24/h4-11,17,22-23,26,29H,3,12-16,18-20H2,1-2H3,(H,28,32)/p+1/t22-,26+/m1/s1