(diphenylmethyl)-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: (diphenylmethyl)-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: benzhydryl-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (diphenylmethyl)-[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]ammonium IUPAC Name: benzhydryl-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: benzhydryl-[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]ammonium Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-21(26(30)29-19-17-28(18-20-29)24-15-9-4-10-16-24)27-25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,21,25,27H,17-20H2,1H3/p+1/t21-/m0/s1