phenyl N-(3-azanyl-3-oxidanylidene-propyl)-N-[1-(dimethylamino)henicosan-4-yl]carbamate hydrochloride

Systemtic Name: phenyl N-(3-azanyl-3-oxidanylidene-propyl)-N-[1-(dimethylamino)henicosan-4-yl]carbamate hydrochloride Openeye Name: phenyl N-(3-amino-3-oxo-propyl)-N-[1-[3-(dimethylamino)propyl]octadecyl]carbamate hydrochloride CAS Name: N-(3-amino-3-oxopropyl)-N-[1-(dimethylamino)heneicosan-4-yl]carbamic acid phenyl ester hydrochloride IUPAC Name: phenyl N-(3-amino-3-oxopropyl)-N-[1-(dimethylamino)henicosan-4-yl]carbamate hydrochloride Traditional Name: N-(3-amino-3-keto-propyl)-N-[1-[3-(dimethylamino)propyl]octadecyl]carbamic acid phenyl ester hydrochloride Formula: C33H60ClN3O3 MolecularWeight: 582.3008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCN(C)C)N(CCC(=O)N)C(=O)OC1=CC=CC=C1.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCN(C)C)N(CCC(=O)N)C(=O)OC1=CC=CC=C1.Cl

InChI

InChI=1S/C33H59N3O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-30(24-22-28-35(2)3)36(29-27-32(34)37)33(38)39-31-25-20-18-21-26-31;/h18,20-21,25-26,30H,4-17,19,22-24,27-29H2,1-3H3,(H2,34,37);1H