[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methylazanium

Systemtic Name: [1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methylazanium Openeye Name: [1-[3-(3,4-dimethoxyphenyl)propanoyl]-4-piperidyl]methylammonium CAS Name: [1-[3-(3,4-dimethoxyphenyl)-1-oxopropyl]-4-piperidinyl]methylammonium IUPAC Name: [1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methylazanium Traditional Name: [1-[3-(3,4-dimethoxyphenyl)propanoyl]-4-piperidyl]methylammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C[NH3+])OC

InChI

InChI=1S/C17H26N2O3/c1-21-15-5-3-13(11-16(15)22-2)4-6-17(20)19-9-7-14(12-18)8-10-19/h3,5,11,14H,4,6-10,12,18H2,1-2H3/p+1