(2S,4R)-N-methyl-4-[(phenylmethyl)amino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-methyl-4-[(phenylmethyl)amino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(benzylamino)-N-methyl-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-methyl-4-[(phenylmethyl)amino]-1-(1-propyl-4-piperidinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(benzylamino)-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(benzylamino)-N-methyl-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O/c1-3-11-24-12-9-19(10-13-24)25-16-18(14-20(25)21(26)22-2)23-15-17-7-5-4-6-8-17/h4-8,18-20,23H,3,9-16H2,1-2H3,(H,22,26)/p+1/t18-,20+/m1/s1