bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-[(4-chlorophenyl)methyl]-(5-pyrrolidin-1-ylpentyl)azanium

Systemtic Name: bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-[(4-chlorophenyl)methyl]-(5-pyrrolidin-1-ylpentyl)azanium Openeye Name: bis(tert-butoxycarbonylamino)methylene-[(4-chlorophenyl)methyl]-(5-pyrrolidin-1-ylpentyl)ammonium CAS Name: bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene-[(4-chlorophenyl)methyl]-[5-(1-pyrrolidinyl)pentyl]ammonium IUPAC Name: bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-[(4-chlorophenyl)methyl]-(5-pyrrolidin-1-ylpentyl)azanium Traditional Name: bis(tert-butoxycarbonylamino)methylene-(4-chlorobenzyl)-(5-pyrrolidinopentyl)ammonium Formula: C27H44ClN4O4+ MolecularWeight: 524.11566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=[N+](CCCCCN1CCCC1)CC2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=[N+](CCCCCN1CCCC1)CC2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H43ClN4O4/c1-26(2,3)35-24(33)29-23(30-25(34)36-27(4,5)6)32(20-21-12-14-22(28)15-13-21)19-9-7-8-16-31-17-10-11-18-31/h12-15H,7-11,16-20H2,1-6H3,(H,29,30,33,34)/p+1