[4-[(3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium-1-yl)methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[(3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium-1-yl)methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[(3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium-1-yl)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[(3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium-1-yl)methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[(3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium-1-yl)methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[(3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium-1-yl)methyl]benzyl]-dimethyl-ammonium Formula: C18H30N2+2 MolecularWeight: 274.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC[NH+](C1)CC2=CC=C(C=C2)C[NH+](C)C)C

Isomeric SMILES

CC1(CC=CC[NH+](C1)CC2=CC=C(C=C2)C[NH+](C)C)C

InChI

InChI=1S/C18H28N2/c1-18(2)11-5-6-12-20(15-18)14-17-9-7-16(8-10-17)13-19(3)4/h5-10H,11-15H2,1-4H3/p+2