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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethyl-butanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethyl-butanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3,3-dimethylbutanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethylbutanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethyl-butyramide Formula: C26H39N4O+ MolecularWeight: 423.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C26H38N4O/c1-26(2,3)19-25(31)27-20-24(21-11-13-22(14-12-21)28(4)5)30-17-15-29(16-18-30)23-9-7-6-8-10-23/h6-14,24H,15-20H2,1-5H3,(H,27,31)/p+1/t24-/m1/s1