3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)-4-piperidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[3-(1-piperidin-1-iumyl)propyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)-4-piperidino-benzamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O3/c25-20(21-10-7-13-22-11-3-1-4-12-22)17-8-9-18(19(16-17)24(26)27)23-14-5-2-6-15-23/h8-9,16H,1-7,10-15H2,(H,21,25)/p+1