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

Systemtic Name: (2R)-2-acetamido-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-3-phenyl-propanamide Openeye Name: (2R)-2-acetamido-N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]-3-phenyl-propanamide CAS Name: (2R)-2-acetamido-N-[1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinyl]-3-phenylpropanamide IUPAC Name: (2R)-2-acetamido-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-3-phenylpropanamide Traditional Name: (2R)-2-acetamido-N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]-3-phenyl-propionamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-15(27)23-18(14-16-6-3-2-4-7-16)21(28)24-17-9-12-25(13-10-17)20-19(26(29)30)8-5-11-22-20/h2-8,11,17-18H,9-10,12-14H2,1H3,(H,23,27)(H,24,28)/p+1/t18-/m1/s1