4-methoxy-N-[(2S)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]benzamide

Systemtic Name: 4-methoxy-N-[(2S)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]benzamide Openeye Name: 4-methoxy-N-[(1S)-1-(piperazin-4-ium-1-carbonyl)propyl]benzamide CAS Name: 4-methoxy-N-[(2S)-1-oxo-1-(1-piperazin-4-iumyl)butan-2-yl]benzamide IUPAC Name: 4-methoxy-N-[(2S)-1-oxo-1-piperazin-4-ium-1-ylbutan-2-yl]benzamide Traditional Name: 4-methoxy-N-[(1S)-1-(piperazin-4-ium-1-carbonyl)propyl]benzamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH2+]CC1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC[C@@H](C(=O)N1CC[NH2+]CC1)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H23N3O3/c1-3-14(16(21)19-10-8-17-9-11-19)18-15(20)12-4-6-13(22-2)7-5-12/h4-7,14,17H,3,8-11H2,1-2H3,(H,18,20)/p+1/t14-/m0/s1