1-cyclopropyl-2,5-dimethyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrrole-3-carboxamide

Systemtic Name: 1-cyclopropyl-2,5-dimethyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrrole-3-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 1-cyclopropyl-2,5-dimethyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-pyrrolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O/c1-15-12-20(16(2)24(15)19-8-9-19)21(25)22-18-10-11-23(14-18)13-17-6-4-3-5-7-17/h3-7,12,18-19H,8-11,13-14H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1