methyl 4-[4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazin-1-yl]benzoate Openeye Name: methyl 4-[4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazino]benzoic acid methyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H31N3O3/c1-17-4-3-10-22(16-17)11-9-20(25)24-14-12-23(13-15-24)19-7-5-18(6-8-19)21(26)27-2/h5-8,17H,3-4,9-16H2,1-2H3/p+1/t17-/m0/s1