N-[(1S)-1-phenylethyl]-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-[(1S)-1-phenylethyl]-2-piperazin-4-ium-1-yl-benzamide Openeye Name: N-[(1S)-1-phenylethyl]-2-piperazin-4-ium-1-yl-benzamide CAS Name: N-[(1S)-1-phenylethyl]-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(1S)-1-phenylethyl]-2-piperazin-4-ium-1-ylbenzamide Traditional Name: N-[(1S)-1-phenylethyl]-2-piperazin-4-ium-1-yl-benzamide Formula: C19H24N3O+ MolecularWeight: 310.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2N3CC[NH2+]CC3

InChI

InChI=1S/C19H23N3O/c1-15(16-7-3-2-4-8-16)21-19(23)17-9-5-6-10-18(17)22-13-11-20-12-14-22/h2-10,15,20H,11-14H2,1H3,(H,21,23)/p+1/t15-/m0/s1