N,N-dimethyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]benzamide

Systemtic Name: N,N-dimethyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]benzamide Openeye Name: N,N-dimethyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]benzamide CAS Name: N,N-dimethyl-4-[3-[1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]benzamide IUPAC Name: N,N-dimethyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]benzamide Traditional Name: N,N-dimethyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]benzamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C23H26N4O/c1-26(2)23(28)19-8-6-18(7-9-19)20-4-3-5-21(14-20)22-11-13-27(25-22)16-17-10-12-24-15-17/h3-9,11,13-14,17,24H,10,12,15-16H2,1-2H3/p+1/t17-/m0/s1