N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-nitro-4-piperidino-benzamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O3/c1-17-8-14-23(15-9-17)11-5-10-22-21(26)18-6-7-19(20(16-18)25(27)28)24-12-3-2-4-13-24/h6-7,16-17H,2-5,8-15H2,1H3,(H,22,26)/p+1