tert-butyl 2-[[2-ethyl-1,4-bis(phenylmethyl)piperazin-1-ium-1-yl]amino]-3-methoxy-propanoate

Systemtic Name: tert-butyl 2-[[2-ethyl-1,4-bis(phenylmethyl)piperazin-1-ium-1-yl]amino]-3-methoxy-propanoate Openeye Name: tert-butyl 2-[(1,4-dibenzyl-2-ethyl-piperazin-1-ium-1-yl)amino]-3-methoxy-propanoate CAS Name: 2-[[2-ethyl-1,4-bis(phenylmethyl)-1-piperazin-1-iumyl]amino]-3-methoxypropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dibenzyl-2-ethylpiperazin-1-ium-1-yl)amino]-3-methoxypropanoate Traditional Name: 2-[(1,4-dibenzyl-2-ethyl-piperazin-1-ium-1-yl)amino]-3-methoxy-propionic acid tert-butyl ester Formula: C28H42N3O3+ MolecularWeight: 468.65138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[N+]1(CC2=CC=CC=C2)NC(COC)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1CN(CC[N+]1(CC2=CC=CC=C2)NC(COC)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C28H42N3O3/c1-6-25-20-30(19-23-13-9-7-10-14-23)17-18-31(25,21-24-15-11-8-12-16-24)29-26(22-33-5)27(32)34-28(2,3)4/h7-16,25-26,29H,6,17-22H2,1-5H3/q+1