[5-azanyl-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-yl] carbamate

Systemtic Name: [5-azanyl-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-yl] carbamate Openeye Name: [5-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-yl] carbamate CAS Name: carbamic acid [5-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)-4-pyrazol-1-iumyl] ester IUPAC Name: [5-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-yl] carbamate Traditional Name: carbamic acid [5-amino-1-(1-hydroxyethyl)-1-(4-phenylbutyl)pyrazol-1-ium-4-yl] ester Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(C(=C(C=N1)OC(=O)N)N)CCCCC2=CC=CC=C2)O

Isomeric SMILES

CC([N+]1(C(=C(C=N1)OC(=O)N)N)CCCCC2=CC=CC=C2)O

InChI

InChI=1S/C16H22N4O3/c1-12(21)20(15(17)14(11-19-20)23-16(18)22)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12,21H,5-6,9-10H2,1H3,(H3-,17,18,19,22)/p+1