4-(4-piperidin-1-ylphenyl)butan-1-amine carbonate

Systemtic Name: 4-(4-piperidin-1-ylphenyl)butan-1-amine carbonate Openeye Name: 4-[4-(1-piperidyl)phenyl]butan-1-amine carbonate CAS Name: 4-[4-(1-piperidinyl)phenyl]-1-butanamine carbonate IUPAC Name: 4-(4-piperidin-1-ylphenyl)butan-1-amine carbonate Traditional Name: 4-(4-piperidinophenyl)butylamine carbonate Formula: C46H72N6O3-2 MolecularWeight: 757.10228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CCCCN.C1CCN(CC1)C2=CC=C(C=C2)CCCCN.C1CCN(CC1)C2=CC=C(C=C2)CCCCN.C(=O)([O-])[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CCCCN.C1CCN(CC1)C2=CC=C(C=C2)CCCCN.C1CCN(CC1)C2=CC=C(C=C2)CCCCN.C(=O)([O-])[O-]

InChI

InChI=1S/3C15H24N2.CH2O3/c3*16-11-3-2-6-14-7-9-15(10-8-14)17-12-4-1-5-13-17;2-1(3)4/h3*7-10H,1-6,11-13,16H2;(H2,2,3,4)/p-2