N-[2-(azepan-1-ium-1-yl)ethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-methyl-4-nitro-benzamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC[NH+]2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC[NH+]2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-13-12-14(6-7-15(13)19(21)22)16(20)17-8-11-18-9-4-2-3-5-10-18/h6-7,12H,2-5,8-11H2,1H3,(H,17,20)/p+1