3-(benzotriazol-1-yl)propyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: 3-(1-benzotriazolyl)propyl-[1-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C27H39N7O2+2 MolecularWeight: 493.64426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCCN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)C(=O)NCC[NH+]5CCOCC5

Isomeric SMILES

C1CN(CCC1[NH2+]CCCN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)C(=O)NCC[NH+]5CCOCC5

InChI

InChI=1S/C27H37N7O2/c35-27(29-13-17-32-18-20-36-21-19-32)22-6-8-24(9-7-22)33-15-10-23(11-16-33)28-12-3-14-34-26-5-2-1-4-25(26)30-31-34/h1-2,4-9,23,28H,3,10-21H2,(H,29,35)/p+2