1,3-benzodioxol-5-ylmethyl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[oxo-[[(3S)-2-oxo-3-azepanyl]amino]methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-[[(3S)-2-ketoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]-piperonyl-ammonium Formula: C26H33N4O4+ MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H32N4O4/c31-25(29-22-3-1-2-12-27-26(22)32)19-5-7-21(8-6-19)30-13-10-20(11-14-30)28-16-18-4-9-23-24(15-18)34-17-33-23/h4-9,15,20,22,28H,1-3,10-14,16-17H2,(H,27,32)(H,29,31)/p+1/t22-/m0/s1