3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzamide

Systemtic Name: 3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzamide Openeye Name: 3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzamide CAS Name: 3-methyl-N-[2-(1-piperazin-4-iumyl)ethyl]benzamide IUPAC Name: 3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzamide Traditional Name: 3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCN2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCN2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3O/c1-12-3-2-4-13(11-12)14(18)16-7-10-17-8-5-15-6-9-17/h2-4,11,15H,5-10H2,1H3,(H,16,18)/p+1