ethyl 1-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]ethanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]ethanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]acetyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[2-[(2S)-1,4-dimethyl-2-piperazin-4-iumyl]-1-oxoethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]acetyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]acetyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C25H40N3O3+ MolecularWeight: 430.6034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CC2C[NH+](CCN2C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C[C@H]2C[NH+](CCN2C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H39N3O3/c1-4-31-24(30)25(12-8-11-21-9-6-5-7-10-21)13-15-28(16-14-25)23(29)19-22-20-26(2)17-18-27(22)3/h5-7,9-10,22H,4,8,11-20H2,1-3H3/p+1/t22-/m0/s1