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

Systemtic Name: methyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]carbamate Openeye Name: methyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]carbamate CAS Name: N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]carbamate Traditional Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]carbamic acid methyl ester Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(CNC(=O)OC)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](CNC(=O)OC)C3=CN=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-26-18-7-5-17(6-8-18)23-10-12-24(13-11-23)19(15-22-20(25)27-2)16-4-3-9-21-14-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1