(2R)-2-acetamido-3-(1-methylpyrrol-2-yl)-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]propanamide

Systemtic Name: (2R)-2-acetamido-3-(1-methylpyrrol-2-yl)-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]propanamide Openeye Name: (2R)-2-acetamido-3-(1-methylpyrrol-2-yl)-N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]propanamide CAS Name: (2R)-2-acetamido-3-(1-methyl-2-pyrrolyl)-N-[1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinyl]propanamide IUPAC Name: (2R)-2-acetamido-3-(1-methylpyrrol-2-yl)-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]propanamide Traditional Name: (2R)-2-acetamido-3-(1-methylpyrrol-2-yl)-N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]propionamide Formula: C20H27N6O4+ MolecularWeight: 415.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CN1C)C(=O)NC2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CN1C)C(=O)NC2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4/c1-14(27)22-17(13-16-5-4-10-24(16)2)20(28)23-15-7-11-25(12-8-15)19-18(26(29)30)6-3-9-21-19/h3-6,9-10,15,17H,7-8,11-13H2,1-2H3,(H,22,27)(H,23,28)/p+1/t17-/m1/s1