1-methyl-1-oxidanyl-3,6-bis(phenylmethyl)-2,7-bis(prop-2-enyl)azepan-1-ium-4,5-diol

Systemtic Name: 1-methyl-1-oxidanyl-3,6-bis(phenylmethyl)-2,7-bis(prop-2-enyl)azepan-1-ium-4,5-diol Openeye Name: 2,7-diallyl-3,6-dibenzyl-1-hydroxy-1-methyl-azepan-1-ium-4,5-diol CAS Name: 1-hydroxy-1-methyl-3,6-bis(phenylmethyl)-2,7-bis(prop-2-enyl)azepan-1-ium-4,5-diol IUPAC Name: 3,6-dibenzyl-1-hydroxy-1-methyl-2,7-bis(prop-2-enyl)azepan-1-ium-4,5-diol Traditional Name: 2,7-diallyl-3,6-dibenzyl-1-hydroxy-1-methyl-azepan-1-ium-4,5-diol Formula: C27H36NO3+ MolecularWeight: 422.57964

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C(C(C(C(C1CC=C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3)CC=C)O

Isomeric SMILES

C[N+]1(C(C(C(C(C(C1CC=C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3)CC=C)O

InChI

InChI=1S/C27H36NO3/c1-4-12-24-22(18-20-14-8-6-9-15-20)26(29)27(30)23(19-21-16-10-7-11-17-21)25(13-5-2)28(24,3)31/h4-11,14-17,22-27,29-31H,1-2,12-13,18-19H2,3H3/q+1