methyl N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]carbamate

Systemtic Name: methyl N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]carbamate Openeye Name: methyl N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]carbamate CAS Name: N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]carbamate Traditional Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]carbamic acid methyl ester Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)NC[C@H](C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2/c1-25-19(24)21-15-18(16-6-5-9-20-14-16)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,24)/p+1/t18-/m1/s1