N-[(2S)-butan-2-yl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-[(1S)-1-methylpropyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-[(1S)-1-methylpropyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-3-18(2)23-22(26)20-11-9-19(10-12-20)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1