1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-[(2-nitrophenyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-(2-nitrobenzyl)piperazin-1-ium-1-yl]ethanone Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O3/c1-16-6-4-5-9-22(16)19(24)15-21-12-10-20(11-13-21)14-17-7-2-3-8-18(17)23(25)26/h2-3,7-8,16H,4-6,9-15H2,1H3/p+1/t16-/m0/s1