bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]azanium

Systemtic Name: bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]azanium Openeye Name: bis[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]ammonium CAS Name: bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]ammonium IUPAC Name: bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]azanium Traditional Name: bis[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]ammonium Formula: C40H60N+ MolecularWeight: 554.9111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C[NH2+]CC4(CCCC5(C4CCC6=C5C=CC(=C6)C(C)C)C)C)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C[NH2+]CC4(CCCC5(C4CCC6=C5C=CC(=C6)C(C)C)C)C)C

InChI

InChI=1S/C40H59N/c1-27(2)29-11-15-33-31(23-29)13-17-35-37(5,19-9-21-39(33,35)7)25-41-26-38(6)20-10-22-40(8)34-16-12-30(28(3)4)24-32(34)14-18-36(38)40/h11-12,15-16,23-24,27-28,35-36,41H,9-10,13-14,17-22,25-26H2,1-8H3/p+1