ethyl 4-[2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H40N4O3+2 MolecularWeight: 432.5994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H38N4O3/c1-4-31-24(30)28-11-9-22(10-12-28)25-23(29)18-27-15-13-26(14-16-27)17-20-5-7-21(8-6-20)19(2)3/h5-8,19,22H,4,9-18H2,1-3H3,(H,25,29)/p+2