1-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methylphenyl)urea Openeye Name: 1-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(m-tolyl)urea CAS Name: 1-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-methylphenyl)urea Traditional Name: 1-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(m-tolyl)urea Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-17-7-6-8-19(15-17)24-22(27)23-16-21(26-13-4-5-14-26)18-9-11-20(12-10-18)25(2)3/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H2,23,24,27)/p+1/t21-/m1/s1