4-(azepan-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4/c24-19(20-7-10-21-11-13-27-14-12-21)16-5-6-17(18(15-16)23(25)26)22-8-3-1-2-4-9-22/h5-6,15H,1-4,7-14H2,(H,20,24)/p+1