N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,4-dimethylbenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethyl-benzamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3)C

InChI

InChI=1S/C23H31N3O/c1-17-7-8-20(15-18(17)2)23(27)24-16-22(26-13-5-6-14-26)19-9-11-21(12-10-19)25(3)4/h7-12,15,22H,5-6,13-14,16H2,1-4H3,(H,24,27)/p+1/t22-/m1/s1