N-[4-[(R)-(4-dimethylaminophenyl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(R)-(4-dimethylaminophenyl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide Openeye Name: N-[4-[(R)-(4-dimethylaminophenyl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide CAS Name: N-[4-[(R)-(4-dimethylaminophenyl)-(1-piperazin-4-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(R)-(4-dimethylaminophenyl)-piperazin-4-ium-1-ylmethyl]phenyl]acetamide Traditional Name: N-[4-[(R)-(4-dimethylaminophenyl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

InChI

InChI=1S/C21H28N4O/c1-16(26)23-19-8-4-17(5-9-19)21(25-14-12-22-13-15-25)18-6-10-20(11-7-18)24(2)3/h4-11,21-22H,12-15H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1