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

Systemtic Name: (2S,4S)-N-ethyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-N-ethyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-N-ethyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propyl-4-piperidinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-N-ethyl-4-[(3-phenoxyphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-N-ethyl-4-[(3-phenoxybenzyl)amino]-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide Formula: C28H41N4O2+ MolecularWeight: 465.65074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O2/c1-3-15-31-16-13-24(14-17-31)32-21-23(19-27(32)28(33)29-4-2)30-20-22-9-8-12-26(18-22)34-25-10-6-5-7-11-25/h5-12,18,23-24,27,30H,3-4,13-17,19-21H2,1-2H3,(H,29,33)/p+1/t23-,27-/m0/s1