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

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

Systemtic Name:4-(cyclopropylamino)-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide
Openeye Name:4-(cyclopropylamino)-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide
CAS Name:4-(cyclopropylamino)-3-nitro-N-[3-(1-piperidin-1-iumyl)propyl]benzamide
IUPAC Name:4-(cyclopropylamino)-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide
Traditional Name:4-(cyclopropylamino)-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide
Formula: C18H27N4O3+
MolecularWeight: 347.43198
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]


Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]


InChI

InChI=1S/C18H26N4O3/c23-18(19-9-4-12-21-10-2-1-3-11-21)14-5-8-16(20-15-6-7-15)17(13-14)22(24)25/h5,8,13,15,20H,1-4,6-7,9-12H2,(H,19,23)/p+1


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