3-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c28-23(19-8-9-21(22(16-19)27(29)30)26-12-4-5-13-26)24-20-10-14-25(15-11-20)17-18-6-2-1-3-7-18/h1-3,6-9,16,20H,4-5,10-15,17H2,(H,24,28)/p+1