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2-[2-[(E)-octadec-9-enoyl]phenyl]propan-2-ylazanium

2-[2-[(E)-octadec-9-enoyl]phenyl]propan-2-ylazanium

Systemtic Name:2-[2-[(E)-octadec-9-enoyl]phenyl]propan-2-ylazanium
Openeye Name:[1-methyl-1-[2-[(E)-octadec-9-enoyl]phenyl]ethyl]ammonium
CAS Name:2-[2-[(E)-1-oxooctadec-9-enyl]phenyl]propan-2-ylammonium
IUPAC Name:2-[2-[(E)-octadec-9-enoyl]phenyl]propan-2-ylazanium
Traditional Name:[1-methyl-1-[2-[(E)-octadec-9-enoyl]phenyl]ethyl]ammonium
Formula: C27H46NO+
MolecularWeight: 400.66024
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1=CC=CC=C1C(C)(C)[NH3+]


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1=CC=CC=C1C(C)(C)[NH3+]


InChI

InChI=1S/C27H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)24-21-19-20-22-25(24)27(2,3)28/h11-12,19-22H,4-10,13-18,23,28H2,1-3H3/p+1/b12-11+


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