1-[4-(aminomethyl)-4-phenyl-piperidin-1-yl]-3-hexadecoxy-propan-2-ol hydrochloride

Systemtic Name: 1-[4-(aminomethyl)-4-phenyl-piperidin-1-yl]-3-hexadecoxy-propan-2-ol hydrochloride Openeye Name: 1-[4-(aminomethyl)-4-phenyl-1-piperidyl]-3-hexadecoxy-propan-2-ol hydrochloride CAS Name: 1-[4-(aminomethyl)-4-phenyl-1-piperidinyl]-3-hexadecoxy-2-propanol hydrochloride IUPAC Name: 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]-3-hexadecoxypropan-2-ol hydrochloride Traditional Name: 1-[4-(aminomethyl)-4-phenyl-piperidino]-3-cetyloxy-propan-2-ol hydrochloride Formula: C31H57ClN2O2 MolecularWeight: 525.24948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN1CCC(CC1)(CN)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN1CCC(CC1)(CN)C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C31H56N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-35-27-30(34)26-33-23-21-31(28-32,22-24-33)29-19-16-15-17-20-29;/h15-17,19-20,30,34H,2-14,18,21-28,32H2,1H3;1H